- Isorhamnetin
- Isorhamnetin 3-O-neohesperidin
- Isorhamnetin-3-O-glucoside
- Isorhamnetin-3-O-rutinoside
- 5503-41-3Acetic acid,rhodium(2+) salt (8CI,9CI)
- 55034-13-4Benzene,2,5-dimethoxy-1-[(4-methylphenyl)thio]-3-nitro-
- 550346-18-4Benzoic acid,2-(acetylamino)-3-fluoro-
- 550347-54-1Pyridine, 2-chloro-5-iodo-4-methyl-
- 550370-31-5Morpholine,4-(4-piperidinyl)-, hydrochloride (1:1)
- 5503-74-22-Thiophenecarboxylicacid, 3-borono-
- 5503-75-34-Thiazolidinone,5-[(2-bromophenyl)methylene]-2-thioxo-
- 550-37-8Benzoic acid,2-(1-oxopentyl)-
- 550378-07-91-Pyrrolidinecarboxylicacid, 2-(2-aminoethyl)-, 1,1-dimethylethyl ester, (2R)-
- 550378-39-71-Pyrrolidinecarboxylicacid, 3-amino-, phenylmethyl ester, hydrochloride (1:1), (3S)-
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
Isorhamnetin 3-O-neohesperidin |
EINECS | N/A |
| CAS No. | 55033-90-4 | Density | 1.74 g/cm3 |
| PSA | 258.43000 | LogP | -1.38410 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C28H32O16 | Boiling Point | 956.77 °C at 760 mmHg |
| Molecular Weight | 624.552 | Flash Point | 314.151 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Calendoflavoside;Isorhamnetin 3-O-neohesperidoside;Isorhamnetin 3-O-neohesperoside; |
Article Data | 1 |
Isorhamnetin 3-O-neohesperidin Specification
The systematic name of 4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)- is 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside. With the CAS registry number 55033-90-4, it is also named as Isorhamnetin 3-O-neohesperidoside. In addition, its molecular formula is C28H32O16 and molecular weight is 624.5441.
The other characteristics of 4H-1-Benzopyran-4-one,3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)- can be summarized as: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 33; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 406; (8)ACD/KOC (pH 7.4): 14; (9)#H bond acceptors: 16; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 254.52 Å2; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 143.008 cm3; (15)Molar Volume: 358.927 cm3; (16)Polarizability: 56.693×10-24cm3; (17)Surface Tension: 109.571 dyne/cm; (18)Density: 1.74 g/cm3; (19)Flash Point: 314.151 °C; (20)Enthalpy of Vaporization: 145.929 kJ/mol; (21)Boiling Point: 956.77 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C4c5c(O)cc(O)cc5O/C(c1ccc(O)c(OC)c1)=C4/O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C
(2)InChI: InChI=1/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,26+,27-,28-/m0/s1
(3)InChIKey: QHLKSZBFIJJREC-SPSUIZEHBV
(4)Std. InChI: InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,26+,27-,28-/m0/s1
(5)Std. InChIKey: QHLKSZBFIJJREC-SPSUIZEHSA-N
What can I do for you?
Get Best Price
